SCHEMBL12778772

SCHEMBL12778772

CN1CCC(CC(C)(C)C)C1=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.32
▸ AR P10275 1/20 0.31
▸ CCNC P24863 1/20 0.30
▸ CDK8 P49336 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24449470 1.00 ACE (0.32) ACEARCCNCCDK8
SCHEMBL19296764 0.89 ACE (0.35) ACE
SCHEMBL24629577 0.85 ACE (0.30) ACE
SCHEMBL14902393 0.78 MAPT (0.32) ACE
SCHEMBL3143437 0.77 — —
SCHEMBL14905891 0.77 — —
SCHEMBL29087151 0.75 — —
SCHEMBL22771465 0.75 — —
SCHEMBL27412666 0.75 — —
SCHEMBL2050872 0.75 — —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10278970-B2 Amino pyrimidine compounds useful as SSAO inhibitors ELI LILLY AND COMPANY (US) 2019-05-07 — — US disclosed
US-9169240-B2 Ketone linked benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 — — US disclosed
US-20150239879-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2015-08-27 — — US disclosed
US-7897789-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2011-03-01 — — US disclosed
US-7772425-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2010-08-10 — — US disclosed
US-7750184-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2010-07-06 — — US disclosed
US-20100076065-A1 VITAMIN D RECEPTOR MODULATORS LU JIANLIANG 2010-03-25 — — US disclosed
US-7601850-B2 less hypercalcemic than 1a,25 dihydroxy vitamin D3; bone disorders, psoriasis ELI LILLY AND COMPANY (US) 2009-10-13 — — US disclosed
US-7595345-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-09-29 — — US disclosed
US-20090227604-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-10 — — US disclosed
US-7582775-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-09-01 — — US disclosed
US-7579488-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-08-25 — — US disclosed
US-7566803-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-07-28 — — US disclosed
US-20090018058-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY (US) 2009-01-15 — — US disclosed
US-20080200552-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY (IN) 2008-08-21 — — US disclosed
US-20070149810-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY (US) 2007-06-28 — — US disclosed
US-20070106095-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090227604-A1 VITAMIN D RECEPTOR MODULATORS VDR, CYP24A1, CYP2R1 ACE 2364/4885AR 719/4885CCNC 2343/4885
US-10278970-B2 Amino pyrimidine compounds useful as SSAO inhibitors DPYD, TYMP, NUDT1 ACE 900/4885AR 4655/4885CCNC 1156/4885
US-20090018058-A1 Vitamin D Receptor Modulators VDR, CYP2R1, CYP24A1 ACE 3000/4885AR 560/4885CCNC 2268/4885
US-20100076065-A1 VITAMIN D RECEPTOR MODULATORS VDR, CYP2R1, CYP24A1 ACE 3099/4885AR 532/4885CCNC 3074/4885
US-20080200552-A1 Vitamin D Receptor Modulators VDR, CYP2R1, CYP24A1 ACE 3025/4885AR 579/4885CCNC 1635/4885
US-20070106095-A1 Vitamin d receptor modulators VDR, CYP2R1, CYP24A1 ACE 2929/4885AR 437/4885CCNC 3325/4885
US-20070149810-A1 Vitamin d receptor modulators VDR, CYP2R1, CYP24A1 ACE 3099/4885AR 532/4885CCNC 3074/4885
US-20150239879-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, LIPE ACE 140/4885AR 4208/4885CCNC 4022/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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